PDB ligand accession: 3DE
DrugBank: DB07051
PubChem:
ChEMBL: n/a
InChI Key: BUIZDUYEIRRDAV-UHFFFAOYSA-O
SMILES: CCOC(=O)C1=C(C)N([NH+]=C1C)C1=CC=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 622 | Phosphorylation | PyMOL_RFAA | ||
THR | 625 | Phosphorylation | PyMOL_RFAA | ||
SER | 666 | Phosphorylation | PyMOL_RFAA | ||
TYR | 708 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |